6PHU
SpAga wild type apo structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-24 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5419 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 90.724, 127.241, 151.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.680 - 2.200 |
R-factor | 0.1846 |
Rwork | 0.182 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fnu |
RMSD bond length | 0.006 |
RMSD bond angle | 1.338 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.152 | 0.406 |
Rpim | 0.077 | 0.244 |
Number of reflections | 44566 | 3731 |
<I/σ(I)> | 9 | 2.1 |
Completeness [%] | 99.2 | 98.1 |
Redundancy | 4.7 | 3.7 |
CC(1/2) | 0.986 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.1 M sodium acetate:acetic acid, 1.1 M ammonium tartrate dibasic |